SCHEMBL1075784

SCHEMBL1075784

O=C(CC1CCN(c2ccccc2)CC1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.46
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
DEGS1 O15121 3/20 0.39
EGFR P00533 1/20 0.33
CACNA1G O43497 1/20 0.33
GFER P55789 1/20 0.33
MAP3K7 O43318 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
STK26 Q9P289 1/20 0.32
STK24 Q9Y6E0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL4365346 0.96 ALK (0.43) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076501 0.94 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075134 0.91 ALK (0.46) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4359010 0.91 ALK (0.41) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075984 0.91 ALK (0.43) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074574 0.91 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL4353044 0.90 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633164 0.90 ALK (0.47) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074300 0.90 ALK (0.43) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074001 0.90 ALK (0.43) ALKJAK2JAK1TYK2JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US claimed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885JAK2 1/4885JAK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.